N-(1,3-benzodioxol-5-yl)-1-[2-[ethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-[ethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-[ethyl(2-thienylmethyl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-[ethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-[ethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[ethyl(2-thenyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CS1)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC1=CC=CS1)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O4S/c1-2-25(13-18-4-3-11-30-18)21(26)14-24-9-7-16(8-10-24)22(27)23-17-5-6-19-20(12-17)29-15-28-19/h3-6,11-12,16H,2,7-10,13-15H2,1H3,(H,23,27)/p+1